[2-(4-Fluorophenyl)-5-propylpyrazol-3-yl] 4-butoxybenzoate
Basic information
- CAS
5878-92-2- Standard SMILES
CCCCOc1ccc(C(=O)Oc2cc(CCC)nn2-c2ccc(F)cc2)cc1- InChIKey
HUOTXAFKJLUFFT-UHFFFAOYSA-N- Molecular formula
- C23H25FN2O3
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.18492083
Names & identifiers
- Preferred name
- [2-(4-Fluorophenyl)-5-propylpyrazol-3-yl] 4-butoxybenzoate
- IUPAC
- [1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-butoxybenzoate
Names & synonyms
5878-92-2[2-(4-fluorophenyl)-5-propylpyrazol-3-yl] 4-butoxybenzoateDTXSID804112511-(4-Fluorophenyl)-3-propyl-1H-pyrazol-5-yl 4-butoxybenzoate
Database identifiers
- CAS
5878-92-2- PubChem CID
- 5223622
- DTXSID
DTXSID80411251
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…